3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline

C100H83BrN2O2 — CID 160773579

IUPAC3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline
SMILESBrc1c2c(c(-c3ccc4c(c3)oc3ccccc34)c3c1CCCC3)CCCC2.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4c(c(-c5ccc6c(c5)oc5ccccc56)c5c3CCCC5)CCCC4)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C50H41NO.C26H23BrO.C24H19N/c1-3-13-34(14-4-1)36-23-28-39(29-24-36)51(40-30-25-37(26-31-40)35-15-5-2-6-16-35)50-45-20-9-7-18-43(45)49(44-19-8-10-21-46(44)50)38-27-32-42-41-17-11-12-22-47(41)52-48(42)33-38;27-26-21-10-3-1-8-19(21)25(20-9-2-4-11-22(20)26)16-13-14-18-17-7-5-6-12-23(17)28-24(18)15-16;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-6,11-17,22-33H,7-10,18-21H2;5-7,12-15H,1-4,8-11H2;1-18,25H
InChIKeyRZQJMTAJCLUWCP-UHFFFAOYSA-N
MW1424.68 g/mol
LogP28.35
Rot. Bonds11

About 3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline

3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 160773579) has the molecular formula C100H83BrN2O2 and a molecular weight of 1424.68 g/mol. Its IUPAC name is 3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID160773579
Molecular FormulaC100H83BrN2O2
Molecular Weight1424.68 g/mol
Exact Mass1422.56
IUPAC Name3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline
SMILESBrc1c2c(c(-c3ccc4c(c3)oc3ccccc34)c3c1CCCC3)CCCC2.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4c(c(-c5ccc6c(c5)oc5ccccc56)c5c3CCCC5)CCCC4)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C50H41NO.C26H23BrO.C24H19N/c1-3-13-34(14-4-1)36-23-28-39(29-24-36)51(40-30-25-37(26-31-40)35-15-5-2-6-16-35)50-45-20-9-7-18-43(45)49(44-19-8-10-21-46(44)50)38-27-32-42-41-17-11-12-22-47(41)52-48(42)33-38;27-26-21-10-3-1-8-19(21)25(20-9-2-4-11-22(20)26)16-13-14-18-17-7-5-6-12-23(17)28-24(18)15-16;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-6,11-17,22-33H,7-10,18-21H2;5-7,12-15H,1-4,8-11H2;1-18,25H
InChIKeyRZQJMTAJCLUWCP-UHFFFAOYSA-N
XLogP28.35
TPSA41.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001424.68
LogP ≤ 528.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118178078
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 88567948
1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine
CID 118180101
4-[3-(4-anilinophenyl)-5-phenylphenyl]-N-phenylaniline;N-[4-[3-(4-anilinophenyl)-5-phenylphenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[4-(N-naphthalen-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 157486265
N-(4-phenylphenyl)-N-(2,4,6-triphenylphenyl)dibenzofuran-3-amine
CID 121287876
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
N,N-bis(4-phenylphenyl)-10-pyren-2-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine
CID 118178040
4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline
CID 159095778

Frequently Asked Questions

What is the IUPAC name of 3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline (CID 160773579) is 3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline is Brc1c2c(c(-c3ccc4c(c3)oc3ccccc34)c3c1CCCC3)CCCC2.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4c(c(-c5ccc6c(c5)oc5ccccc56)c5c3CCCC5)CCCC4)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is RZQJMTAJCLUWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41NO.C26H23BrO.C24H19N/c1-3-13-34(14-4-1)36-23-28-39(29-24-36)51(40-30-25-37(26-31-40)35-15-5-2-6-16-35)50-45-20-9-7-18-43(45)49(44-19-8-10-21-46(44)50)38-27-32-42-41-17-11-12-22-47(41)52-48(42)33-38;27-26-21-10-3-1-8-19(21)25(20-9-2-4-11-22(20)26)16-13-14-18-17-7-5-6-12-23(17)28-24(18)15-16;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-6,11-17,22-33H,7-10,18-21H2;5-7,12-15H,1-4,8-11H2;1-18,25H.
What are the key properties of 3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline?
3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 1424.68 g/mol, XLogP of 28.35, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 160773579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).